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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | fexofenadine | |
| Synonyms |
Terfenadine acid metabolite Terfenadine-COOH 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid Carboxyterfenadine Terfenadine carboxylate Fexofenadine |
|
| Definitions |
A piperidine-based anti-histamine compound. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5050 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:D07958 LINCS:LSM-1770 Drug_Central:1170 KEGG:C06999 Wikipedia:Fexofenadine Beilstein:6832242 CAS:83799-24-0 DrugBank:DB00950 Patent:DE3007498 Patent:US4254129
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|
| definition |
A piperidine-based anti-histamine compound.
|
|
| formula |
C32H39NO4
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
Fexofenadine
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Terfenadine acid metabolite Terfenadine-COOH 4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)butyl)-alpha,alpha-dimethylbenzeneacetic acid Carboxyterfenadine Terfenadine carboxylate
|
|
| id |
CHEBI:5050
|
|
| in_subset | ||
| inchi |
InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
|
|
| inchikey |
RWTNPBWLLIMQHL-UHFFFAOYSA-N
|
|
| label |
fexofenadine
|
|
| mass |
501.65640
|
|
| monoisotopicmass |
501.28791
|
|
| notation |
CHEBI:5050
|
|
| prefLabel |
fexofenadine
|
|
| smiles |
CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
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| treeView | ||
| subClassOf |
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